CS-0644983
(Z)-2,5-Dichloro-3-((((3,4-dihydroxy-5-nitrobenzoyl)oxy)imino)((3-hydroxy-5-nitrobenzoyl)-l2-azanyl)methyl)-1-hydroxy-4,6-dimethyl-1,2-dihydropyridin-1-ium-2-ide Opicapone impurity
Manufacturer: ChemScene
CAS Number: None
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₂H₁₅Cl₂N₅O₁₁
Molecular Weight
596.29
Synonyms
None
SMILES
CC1=C(C(Cl)=[N](C(C)=C1Cl)O)/C([N]C(C2=CC([N+]([O-])=O)=CC(O)=C2)=O)=N/OC(C3=CC([N+]([O-])=O)=C(C(O)=C3)O)=O
Tpsa
N/A
Logp
N/A
H Acceptors
N/A
H Donors
N/A
Rotatable Bonds
N/A
Other Options
...
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₁₅Cl₂N₅O₁₁
Molecular Weight: 596.29
Synonyms: None
SMILES: CC1=C(C(Cl)=[N](C(C)=C1Cl)O)/C([N]C(C2=CC([N+]([O-])=O)=CC(O)=C2)=O)=N/OC(C3=CC([N+]([O-])=O)=C(C(O)=C3)O)=O
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₁₅Cl₂N₅O₁₁
Molecular Weight:
596.29
Synonyms:
None
SMILES:
CC1=C(C(Cl)=[N](C(C)=C1Cl)O)/C([N]C(C2=CC([N+]([O-])=O)=CC(O)=C2)=O)=N/OC(C3=CC([N+]([O-])=O)=C(C(O)=C3)O)=O
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₁NO₅
Molecular Weight: 271.31
Synonyms: None
SMILES: O=C(N1[C@H](C(OCC)=O)CC(C)C1=O)OC(C)(C)C
Tpsa: 72.91
Logp: 1.7216
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₁NO₅
Molecular Weight:
271.31
Synonyms:
None
SMILES:
O=C(N1[C@H](C(OCC)=O)CC(C)C1=O)OC(C)(C)C
Tpsa:
72.91
Logp:
1.7216
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₄N₂O₃
Molecular Weight: 186.21
Synonyms: None
SMILES: O=C(OC)[C@H](N)C[C@H]1C(NCC1)=O
Tpsa: 81.42
Logp: -0.9871
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₄N₂O₃
Molecular Weight:
186.21
Synonyms:
None
SMILES:
O=C(OC)[C@H](N)C[C@H]1C(NCC1)=O
Tpsa:
81.42
Logp:
-0.9871
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₃N₃O₄
Molecular Weight: 297.35
Synonyms: None
SMILES: COC(C(CC1CC2(NC1=O)CCN(CC2)C(C)=O)N)=O
Tpsa: 101.73
Logp: -0.606
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₃N₃O₄
Molecular Weight:
297.35
Synonyms:
None
SMILES:
COC(C(CC1CC2(NC1=O)CCN(CC2)C(C)=O)N)=O
Tpsa:
101.73
Logp:
-0.606
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
3